REMARK Name = BDB030486 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.510 0.906 -0.292 0.00 0.00 +0.159 A ATOM 2 C LIG 1 -0.800 0.507 -0.051 0.00 0.00 +0.203 A ATOM 3 F LIG 1 -1.114 -0.799 0.005 0.00 0.00 -0.198 F ATOM 4 C LIG 1 -1.771 1.489 0.141 0.00 0.00 +0.163 A ATOM 5 N LIG 1 -1.444 2.795 0.076 0.00 0.00 -0.218 NA ATOM 6 C LIG 1 -0.160 3.086 -0.173 0.00 0.00 +0.225 A ATOM 7 N LIG 1 0.836 2.209 -0.366 0.00 0.00 -0.218 NA ENDROOT BRANCH 1 8 ATOM 8 N LIG 1 1.485 -0.079 -0.544 0.00 0.00 -0.326 N ATOM 9 H LIG 1 1.358 -0.850 0.118 0.00 0.00 +0.148 HD BRANCH 8 10 ATOM 10 C LIG 1 2.877 0.363 -0.610 0.00 0.00 +0.109 C BRANCH 10 15 ATOM 11 N LIG 1 5.754 -0.980 0.253 0.00 0.00 -0.291 NA ATOM 12 C LIG 1 4.662 -1.663 0.981 0.00 0.00 +0.122 C ATOM 13 C LIG 1 3.615 -0.710 1.585 0.00 0.00 +0.185 C ATOM 14 F LIG 1 2.412 -1.344 1.644 0.00 0.00 -0.244 F ATOM 15 C LIG 1 3.482 0.594 0.792 0.00 0.00 +0.042 C ATOM 16 C LIG 1 4.865 1.276 0.688 0.00 0.00 +0.023 C ATOM 17 C LIG 1 6.053 0.318 0.868 0.00 0.00 +0.085 C BRANCH 11 18 ATOM 18 C LIG 1 6.953 -1.856 0.207 0.00 0.00 +0.180 C BRANCH 18 22 ATOM 19 N LIG 1 7.371 -0.946 -2.022 0.00 0.00 -0.328 N ATOM 20 H LIG 1 6.396 -0.669 -1.984 0.00 0.00 +0.145 HD ATOM 21 H LIG 1 7.977 -0.511 -2.703 0.00 0.00 +0.145 HD ATOM 22 C LIG 1 7.944 -1.376 -0.857 0.00 0.00 +0.225 C ATOM 23 O LIG 1 9.162 -1.412 -0.718 0.00 0.00 -0.275 OA ENDBRANCH 18 22 ENDBRANCH 11 18 ENDBRANCH 10 15 ENDBRANCH 8 10 ENDBRANCH 1 8 BRANCH 4 24 ATOM 24 N LIG 1 -3.118 1.087 0.393 0.00 0.00 -0.305 N BRANCH 24 25 ATOM 25 C LIG 1 -4.025 1.878 1.264 0.00 0.00 +0.075 C ATOM 26 C LIG 1 -4.361 3.322 1.028 0.00 0.00 +0.024 C ATOM 27 C LIG 1 -3.594 2.916 2.259 0.00 0.00 +0.024 C ENDBRANCH 24 25 BRANCH 24 28 ATOM 28 C LIG 1 -3.732 0.608 -0.861 0.00 0.00 +0.142 C BRANCH 28 29 ATOM 29 C LIG 1 -4.830 -0.403 -0.592 0.00 0.00 -0.030 A ATOM 30 C LIG 1 -6.155 -0.136 -0.963 0.00 0.00 +0.006 A ATOM 31 C LIG 1 -7.161 -1.074 -0.719 0.00 0.00 +0.013 A ATOM 32 C LIG 1 -6.864 -2.295 -0.094 0.00 0.00 +0.055 A ATOM 33 C LIG 1 -5.536 -2.564 0.267 0.00 0.00 +0.013 A ATOM 34 C LIG 1 -4.531 -1.627 0.023 0.00 0.00 +0.006 A BRANCH 32 35 ATOM 35 C LIG 1 -7.949 -3.315 0.149 0.00 0.00 +0.417 C ATOM 36 F LIG 1 -7.699 -4.124 1.217 0.00 0.00 -0.166 F ATOM 37 F LIG 1 -9.167 -2.752 0.389 0.00 0.00 -0.166 F ATOM 38 F LIG 1 -8.126 -4.146 -0.916 0.00 0.00 -0.166 F ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 24 28 ENDBRANCH 4 24 TORSDOF 10